3-(((4-Amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)methyl)-N-cyclopentyl-2-oxo-3-piperidinecarboxamide

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  • Identifiers

    CAS number
    1446687-20-2

    Molecular formula
    C19H25N5O5S

    SMILES
    C1CCC(C1)NC(=O)C2(CCCNC2=O)COC3=CC=CC4=C3C(=NS(=O)(=O)N4)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.9%
    Savory 25.92%
    Roasted 23.65%
    Cooling 23.25%
    Cooked 21.14%
    Meaty 20.97%
    Nutty 20.56%
    Popcorn 20.07%
    Burnt 16.04%
    Bitter 15.57%

     

    Flavor
    Bitter 91.22%
    Odorless 28.63%
    Bland 23.08%
    Cedarleaf 19.48%
    Sweet-like 19.29%
    Nitrile 19.1%
    Very strong 18.24%
    Taco 18.24%
    Cereal 18.24%
    Lovage 18.18%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.27 (neutral)

    Molecular weight
    435.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1679°C

    Flash point

    • 274.37 ˚C est.

  • Synonyms

    • E2Q6JM4TJX
    • Fema No. 4793
    • UNII-E2Q6JM4TJX
    • 1446687-20-2
    • 3-(((4-Amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)methyl)-N-cyclopentyl-2-oxo-3-piperidinecarboxamide
    • 3-(((4-Amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)methyl)-N-cyclopentyl-2-oxo-3-piperidinecarboxamide, (3R,3S)-
    • 3-(((4-Amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)methyl)-N-cyclopentyl-2-oxopiperidine-3-carboxamide
    • 3-Piperidinecarboxamide, 3-(((4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)methyl)-N-cyclopentyl-2-oxo-
    • RefChem:198148
    • SCHEMBL17352024
    • SCHEMBL30834640
    • 3-(((4-Amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl)-N-cyclopentyl-2-oxopiperidine-3-carboxamide
    • 1446687-20-2

  • Applications

    Primarily used as a pharmaceutical intermediate and building block for heterocyclic compounds; in medicinal chemistry it serves as a starting material for drug-discovery programs and library generation; in industrial manufacturing it supports process development and scale-up of complex synthesis steps; in research settings it is evaluated as a scaffold for structure-activity relationship studies and to prepare related analogs; overall, its applications are centered on pharmaceutical synthesis and related chemical research, subject to local regulations and formulation limits. For reference, the chemical name is 3-(((4-Amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)methyl)-N-cyclopentyl-2-oxo-3-piperidinecarboxamide (CAS 1446687-20-2).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.66
    methanol 8.62
    isopropanol 1.11
    water 0.39
    ethyl acetate 1.03
    n-propanol 2.04
    acetone 7.32
    n-butanol 1.58
    acetonitrile 3.17
    DMF 31.83
    toluene 0.46
    isobutanol 1.02
    1,4-dioxane 1.78
    methyl acetate 1.79
    THF 6.48
    2-butanone 5.35
    n-pentanol 1.18
    sec-butanol 0.89
    n-hexane 0.01
    ethylene glycol 4.35
    NMP 57.84
    cyclohexane 0.03
    DMSO 38.87
    n-butyl acetate 1.1
    n-octanol 0.18
    chloroform 7.05
    n-propyl acetate 1.08
    acetic acid 21.33
    dichloromethane 6.97
    cyclohexanone 9.33
    propylene glycol 7.85
    isopropyl acetate 0.64
    DMAc 36.33
    2-ethoxyethanol 6.76
    isopentanol 1.06
    n-heptane 0.01
    ethyl formate 3.9
    1,2-dichloroethane 3.34
    n-hexanol 0.58
    2-methoxyethanol 19.51
    isobutyl acetate 0.66
    tetrachloromethane 0.51
    n-pentyl acetate 1.05
    transcutol 7.08
    n-heptanol 0.42
    ethylbenzene 0.15
    MIBK 1.43
    2-propoxyethanol 6.16
    tert-butanol 0.6
    MTBE 0.15
    2-butoxyethanol 3.68
    propionic acid 5.64
    o-xylene 0.26
    formic acid 31.83
    diethyl ether 0.3
    m-xylene 0.3
    p-xylene 0.27
    chlorobenzene 1.09
    dimethyl carbonate 2.09
    n-octane 0.01
    formamide 35.56
    cyclopentanone 17.18
    2-pentanone 3.1
    anisole 0.43
    cyclopentyl methyl ether 0.8
    gamma-butyrolactone 17.34
    1-methoxy-2-propanol 8.99
    pyridine 5.85
    3-pentanone 2.06
    furfural 22.62
    n-dodecane 0.01
    diethylene glycol 11.08
    diisopropyl ether 0.06
    tert-amyl alcohol 0.54
    acetylacetone 4.78
    n-hexadecane 0.01
    acetophenone 1.9
    methyl propionate 1.98
    isopentyl acetate 0.98
    trichloroethylene 13.02
    n-nonanol 0.22
    cyclohexanol 0.81
    benzyl alcohol 2.17
    2-ethylhexanol 0.29
    isooctanol 0.29
    dipropyl ether 0.24
    1,2-dichlorobenzene 1.07
    ethyl lactate 2.77
    propylene carbonate 6.95
    n-methylformamide 18.51
    2-pentanol 0.46
    n-pentane 0.02
    1-propoxy-2-propanol 3.2
    1-methoxy-2-propyl acetate 2.34
    2-(2-methoxypropoxy) propanol 3.63
    mesitylene 0.15
    ε-caprolactone 6.29
    p-cymene 0.16
    epichlorohydrin 13.28
    1,1,1-trichloroethane 1.69
    2-aminoethanol 6.65
    morpholine-4-carbaldehyde 20.14
    sulfolane 39.45
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.4
    n-hexyl acetate 0.72
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.05
    sec-butyl acetate 0.48
    tert-butyl acetate 0.62
    decalin 0.01
    glycerin 23.71
    diglyme 5.78
    acrylic acid 10.68
    isopropyl myristate 0.29
    n-butyric acid 5.54
    acetyl acetate 1.22
    di(2-ethylhexyl) phthalate 1.41
    ethyl propionate 0.74
    nitromethane 27.34
    1,2-diethoxyethane 0.83
    benzonitrile 2.85
    trioctyl phosphate 0.73
    1-bromopropane 0.66
    gamma-valerolactone 32.27
    n-decanol 0.17
    triethyl phosphate 0.78
    4-methyl-2-pentanol 0.27
    propionitrile 2.15
    vinylene carbonate 8.08
    1,1,2-trichlorotrifluoroethane 30.02
    DMS 1.38
    cumene 0.11
    2-octanol 0.18
    2-hexanone 1.99
    octyl acetate 0.5
    limonene 0.18
    1,2-dimethoxyethane 4.38
    ethyl orthosilicate 0.55
    tributyl phosphate 0.9
    diacetone alcohol 3.52
    N,N-dimethylaniline 0.41
    acrylonitrile 5.58
    aniline 1.52
    1,3-propanediol 8.39
    bromobenzene 0.78
    dibromomethane 2.65
    1,1,2,2-tetrachloroethane 7.38
    2-methyl-cyclohexyl acetate 1.1
    tetrabutyl urea 1.75
    diisobutyl methanol 0.15
    2-phenylethanol 1.83
    styrene 0.2
    dioctyl adipate 0.93
    dimethyl sulfate 6.73
    ethyl butyrate 0.88
    methyl lactate 7.58
    butyl lactate 2.7
    diethyl carbonate 0.67
    propanediol butyl ether 3.79
    triethyl orthoformate 0.69
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.29
    morpholine 3.63
    tert-butylamine 0.14
    n-dodecanol 0.12
    dimethoxymethane 5.45
    ethylene carbonate 4.64
    cyrene 13.14
    2-ethoxyethyl acetate 2.08
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 1.77
    4-methylpyridine 3.36
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.15
    DEF 3.87
    dimethyl isosorbide 7.76
    tetrachloroethylene 4.24
    eugenol 3.74
    triacetin 2.25
    span 80 3.31
    1,4-butanediol 3.59
    1,1-dichloroethane 1.81
    2-methyl-1-pentanol 0.91
    methyl formate 11.86
    2-methyl-1-butanol 1.02
    n-decane 0.01
    butyronitrile 2.02
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.07
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.98
    tetrahydropyran 0.89
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 5.29
    1-hexene 0.07
    2-isopropoxyethanol 2.57
    2,2,2-trifluoroethanol 11.33
    methyl butyrate 1.5

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction